α-Endosulfan solution - analytical standard, 100ug/ml,u=3% in benzene , CAS No.959-98-8

CAS: 959-98-8 Cat. No.: E114210 分子式: C₉H₆Cl₆O₃S 分子量: 406.93 Beilstein Registry Number: 2950316 EC番号: 625-034-9

グレード＆純度 Analytical standard, 100ug/ml,u=3% in benzene

Synonyms

BETA-ENDOSULFAN | Endosulfan I, vial of 1 g, (alpha isomer), 99%, analytical standard | n'-hydroxypyridine-3-carboxamidine | CCRIS 1461 | Endosulfan B | BIDD:PXR0005 | Endosulfan 2 | NCGC00255451-01 | SRNDYVBEUZSFEZ-RMKNXTFCSA-N | ALPHA-ENDOSULFAN | b-End

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

BETA-ENDOSULFAN | Endosulfan I, vial of 1 g, (alpha isomer), 99%, analytical standard | n'-hydroxypyridine-3-carboxamidine | CCRIS 1461 | Endosulfan B | BIDD:PXR0005 | Endosulfan 2 | NCGC00255451-01 | SRNDYVBEUZSFEZ-RMKNXTFCSA-N | ALPHA-ENDOSULFAN | b-End

仕様と純度

analytical standard, 100ug/ml,u=3% in benzene

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

パブケム・シド

528768643

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528768643

カノニカル・スマイル

C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

IUPAC Name

(1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

InChIKey

RDYMFSUJUZBWLH-AZVNHNRSSA-N

INCHI

1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?

異性体SMILES

C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

WGKドイツ

2

UN番号

2761

包装グループ

I

分子量

406.93

Beilstein

2950316

Reaxy-Rn

1262315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1262315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organic oxoanionic compounds
      • Subclass Organic sulfites

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organic oxoanionic compounds
• Subclass: Organic sulfites
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfite esters
• Alternative Parents: Vinyl chlorides Oxacyclic compounds Chloroalkenes Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Sulfite ester - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as sulfite esters. These are organic compounds containing an organic group attached to the sulfite oxoanion, with the formula R[SO3]2-.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 感度: light sensitive
• 引火点（°F）: -14.8 °F
• 引火点（°C）: -26 °C
• 分子量: 406.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 405.814 Da
• Monoisotopic Mass: 403.817 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 470.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1